(Q27115746)

(9R,13R)-12-Oxo-phytodienoic acid (English)

8-[(1S,5R)-4-Oxo-5-(pent-2-en-1-yl)cyclopent-2-en-1-yl]octanoic acid

6 October 2016

stereoisomer of

2 references

8-[(1R,5S)-4-Oxo-5-(pent-2-en-1-yl)cyclopent-2-en-1-yl]octanoic acid

inferred from InChIKey

1 reference

1 reference

9S,13R-12-oxophytodienoic acid

1 reference

9R,13R-12-oxophytodienoic acid

1 reference

(15Z)-12-oxophyto-10,15-dienoic acid

1 reference

8-[4-Oxo-5beta-[(Z)-2-pentenyl]-2-cyclopentene-1alpha-yl]octanoic acid

1 reference

chemical formula

C₁₈H₂₈O₃

1 reference

(9R,13R)-12-Oxo-phytodienoic acid (English)

6 October 2016

canonical SMILES

CCC=CCC1C(C=CC1=O)CCCCCCCC(=O)O

1 reference

(9R,13R)-12-Oxo-phytodienoic acid (English)

6 October 2016

isomeric SMILES

CC/C=C\C[C@@H]1[C@@H](C=CC1=O)CCCCCCCC(=O)O

1 reference

(9R,13R)-12-Oxo-phytodienoic acid (English)

InChI=1S/C18H28O3/c1-2-3-7-11-16-15(13-14-17(16)19)10-8-5-4-6-9-12-18(20)21/h3,7,13-16H,2,4-6,8-12H2,1H3,(H,20,21)/b7-3-/t15-,16-/m1/s1

6 October 2016

Identifiers

InChI

1 reference

(9R,13R)-12-Oxo-phytodienoic acid (English)

PMTMAFAPLCGXGK-GTOOTHNYSA-N

6 October 2016

InChIKey

2 references

(9R,13R)-12-Oxo-phytodienoic acid (English)

6 October 2016

stated in

ChEBI release 2020-09-01

1 reference

8-{(1R,5R)-4-Oxo-5-[(2Z)-2-penten-1-yl]-2-cyclopenten-1-yl}octanoic acid (English)

6 October 2016

2 references

(9R,13R)-12-Oxo-phytodienoic acid (English)

matched by identifier from

6 October 2016

InChIKey

PMTMAFAPLCGXGK-GTOOTHNYSA-N

ChEBI ID

34005

mapping relation type

2 references

(9R,13R)-12-oxophytodienoic acid (English)

matched by identifier from

6 October 2016

International Chemical Identifier

InChI

InChI=1S/C18H28O3/c1-2-3-7-11-16-15(13-14-17(16)19)10-8-5-4-6-9-12-18(20)21/h3,7,13-16H,2,4-6,8-12H2,1H3,(H,20,21)/b7-3-/t15-,16-/m1/s1

1 reference

splash10-0007-4090000000-e6b574970dc839f6b29d

0 references

1 reference

(9R,13R)-12-oxophytodienoic acid (English)